CID 78012

N-tetradecylpropane-1,3-diamine

Structural Information

Molecular Formula

C₁₇H₃₈N₂

SMILES

CCCCCCCCCCCCCCNCCCN

InChI

InChI=1S/C17H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h19H,2-18H2,1H3

InChIKey

SSSZZOVUXFLWCQ-UHFFFAOYSA-N

Compound name

N'-tetradecylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 280
Patents: 270.3035 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.31078	174.2
[M+Na]+	293.29272	180.6
[M+NH4]+	288.33732	180.5
[M+K]+	309.26666	172.1
[M-H]-	269.29622	174.7
[M+Na-2H]-	291.27817	175.4
[M]+	270.30295	174.8
[M]-	270.30405	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe